{"description" "Measures the hexagonal elastic constants for hcp structure by calculating the hessian of the energy density with respect to strain. Error estimate is reported due to the numerical differentiation.\n\nThis version fixes the number of repeats in the species key and the coordinate of the 2nd atom in the normed basis." "disclaimer" "Computes elastic constants with numerical deriviatives of the strain of the unit cell." "domain" "openkim.org" "extended-id" "ElasticConstantsHexagonal__TD_612503193866_001" "kim-api-version" "1.6" "pipeline-api-version" "1.0" "properties" ["tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-hexagonal-crystal-npt"] "source-citations" "J. B. Huntington, in Solid State Physics, edited by F. Seitz and D. Turnbull (Academic, New York, 1958), Vol. 7." "title" "Elastic constants for hexagonal crystals" "creator" "Junhao Li" "contributor-id" "c429164b-1b03-4ce3-a3a8-2568dd2bc449" "maintainer-id" "c429164b-1b03-4ce3-a3a8-2568dd2bc449" "publication-year" "2016"}